Geometry & MOs

Info

ID:	320037
PubChem CID:	126658050
Reduced:	O2N4C23H42 (1)
Stoich.:	A2B4C23D42 (1)
Weight, g/mol:	426.285558
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	3.26
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5aR,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]-1-(3-imidazol-1-ylpropyl)-1-methylurea

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CC)CCCN(CC)CC

DOS

IR

Vibrations