Geometry & MOs

Info

ID:	188644
PubChem CID:	77747477
Reduced:	N5O6C17H31 (1)
Stoich.:	A5B6C17D31 (1)
Weight, g/mol:	526.220765
ΔH_f, kcal/mol:	-298.8
Dipole, Da:	4.61
IP(EA), eV:	-9.07(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[5-(3-chloroanilino)-3-(2,3-diamino-3-oxoprop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN(CC(=O)NCCC(=O)OC)C1CCNC(=O)N1

DOS

IR

Vibrations