Geometry & MOs

Info

ID:	175146
PubChem CID:	75861538
Reduced:	O2N5C18H30 (1)
Stoich.:	A2B5C18D30 (1)
Weight, g/mol:	368.161031
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779051
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-[(4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]-4-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NOC(=C1)NC(=O)NC(C[N+]2=CNC=C2)C(C)(C)C

DOS

IR

Vibrations