Geometry & MOs

Info

ID:	290658
PubChem CID:	109816974
Reduced:	FIO2N5C21H33 (1)
Stoich.:	ABC2D5E21F33 (1)
Weight, g/mol:	410.208469
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	2.56
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC(=C(C=C2)N3CCOCC3)F)NCC.I

DOS

IR

Vibrations