Geometry & MOs

Info

ID:	176432
PubChem CID:	76048998
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	70.69
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(4-oxo-4aH-quinazolin-2-yl)methyl]-3-(2-pyrrolidin-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2C=NN(C2=N1)C)C3CCC4=CC=CC=C34

DOS

IR

Vibrations