Geometry & MOs

Info

ID:	444814
PubChem CID:	135263634
Reduced:	O4N9C17H25 (1)
Stoich.:	A4B9C17D25 (1)
Weight, g/mol:	501.331505
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	11.97
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopropylamino)-N-[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-3-(1H-imidazol-5-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(CNC(CC1=CN=CN1)C(=O)NC2=NC(=O)C3=C(N2)N(C=N3)COCCO)N

DOS

IR

Vibrations