Geometry & MOs

Info

ID:	188071
PubChem CID:	77665006
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	6.74
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

Drug info:

PubChemData

Smile

CCCNCC(COC1=CC=C(C=C1)C(=O)C2=NC(=O)NC2=C)O

DOS

IR

Vibrations